4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide

C14H20ClN3O3 — CID 3019427

IUPAC4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1OC
InChIInChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeyOMLDMGPCWMBPAN-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.04
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide

4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide (PubChem CID 3019427) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide
PubChem CID3019427
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1OC
InChIInChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeyOMLDMGPCWMBPAN-UHFFFAOYSA-N
XLogP1.04
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide (CID 3019427) is 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1OC.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide?
The InChIKey is OMLDMGPCWMBPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide?
4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide has a molecular weight of 313.79 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide is sourced from PubChem (CID 3019427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).